SCHEMBL6779715

SCHEMBL6779715

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.45
TLR8 Q9NR97 7/20 0.45
NUDT1 P36639 1/20 0.43
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPY5R Q15761 3/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
HTR7 P34969 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6783392 0.87 TLR7 (0.47) TLR7TLR8NUDT1KDM4EALDH1A1
SCHEMBL6779812 0.86 SCN1A (0.48) TLR7SCN1ASCN2ASCN3AKDM4E
SCHEMBL6778051 0.85 TLR7 (0.46) TLR7TLR8NUDT1SCN1ASCN2A
SCHEMBL6775218 0.85 POLB (0.42) TLR7TLR8ALDH1A1HTR7
SCHEMBL6780460 0.84 TLR7 (0.44) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6777551 0.83 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6776957 0.83 TLR7 (0.42) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6774337 0.83 TLR8 (0.39) TLR7TLR8NUDT1
SCHEMBL6779163 0.83 SCN1A (0.44) TLR7TLR8NUDT1SCN1ASCN2A
SCHEMBL6783636 0.83 TLR7 (0.39) TLR7TLR8NUDT1ALDH1A1HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed